{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0 0.860159 0.75 ] [ 0 0.139841 0.25 ] [ 0.5 0.360159 0.75 ] [ 0.5 0.639841 0.25 ] [ 0 0.175448 0.75 ] [ 0 0.824552 0.25 ] [ 0.5 0.675448 0.75 ] [ 0.5 0.324552 0.25 ] [ 0.775999 0.029284 0.25 ] [ 0.224001 0.029284 0.25 ] [ 0 0.248707 0.455739 ] [ 0 0.248707 0.044261 ] [ 0 0.751293 0.544261 ] [ 0 0.751293 0.955739 ] [ 0.224001 0.970716 0.75 ] [ 0.775999 0.970716 0.75 ] [ 0.275999 0.529284 0.25 ] [ 0.724001 0.529284 0.25 ] [ 0.5 0.748707 0.455739 ] [ 0.5 0.748707 0.044261 ] [ 0.5 0.251293 0.544261 ] [ 0.5 0.251293 0.955739 ] [ 0.724001 0.470716 0.75 ] [ 0.275999 0.470716 0.75 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "V" "V" "V" "V" "Cd" "Cd" "Cd" "Cd" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.21659528949 "source-unit" "angstrom" } "b" { "source-value" 9.51506086578 "source-unit" "angstrom" } "c" { "source-value" 6.87477283 "source-unit" "angstrom" } }